SCHEMBL8880440

SCHEMBL8880440

COC(=O)COc1ccc(CC(C)N2CCOC(c3csc(C(C)C)n3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM3 P20309 1/20 0.32
THRB P10828 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FKBP1A P62942 1/20 0.32
MAPT P10636 1/20 0.32
ALOX5AP P20292 1/20 0.32
GAA P10253 1/20 0.32
CPT1A P50416 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8878894 0.92 MEN1 (0.37) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8879820 0.92 GLA (0.37) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8880246 0.89 ALOX5AP (0.36) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8879158 0.89 NPC1 (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8880068 0.88 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8887816 0.86 KMT2A (0.32) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL8880212 0.86 MAPT (0.33) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL8879091 0.84 HRH3 (0.34) KMT2AMEN1HRH3
SCHEMBL8880254 0.84 MEN1 (0.36) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9770814 0.83 GLA (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5604225-A DIETETICS; OBESITY DR. KARL THOMAE GMBH (DE) 1997-02-18 US disclosed
US-5457205-A Substituted thiazoles useful for treatment of diabetes DR. KARL THOMAE GMBH (DE) 1995-10-10 US disclosed
US-5219852-A Hypoglycemic agents, treatment of diabetes and obesity DR. KARL THOMAE GMBH (DE) 1993-06-15 US disclosed
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed